7-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-ol

Systemtic Name: 7-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-ol Openeye Name: 7-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-ol CAS Name: 7-[[4-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-ol IUPAC Name: 7-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-ol Traditional Name: 7-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-ol Formula: C21H23N2O4+ MolecularWeight: 367.41832

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3O2)CC4=CC5=C(C=C4O)OCCO5

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3O2)CC4=CC5=C(C=C4O)OCCO5

InChI

InChI=1S/C21H22N2O4/c24-17-12-20-19(25-9-10-26-20)11-15(17)13-23-7-5-14(6-8-23)21-22-16-3-1-2-4-18(16)27-21/h1-4,11-12,14,24H,5-10,13H2/p+1